5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol

C12H12FNOS — CID 66352112

IUPAC5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
SMILESCC(Nc1ccsc1)c1ccc(F)cc1O
InChIInChI=1S/C12H12FNOS/c1-8(14-10-4-5-16-7-10)11-3-2-9(13)6-12(11)15/h2-8,14-15H,1H3
InChIKeyUSCIHPPTVMICTN-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.77
Rot. Bonds3

About 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol

5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol (PubChem CID 66352112) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
PubChem CID66352112
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
SMILESCC(Nc1ccsc1)c1ccc(F)cc1O
InChIInChI=1S/C12H12FNOS/c1-8(14-10-4-5-16-7-10)11-3-2-9(13)6-12(11)15/h2-8,14-15H,1H3
InChIKeyUSCIHPPTVMICTN-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 63065839
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
2-[1-(3-bromo-5-methoxyanilino)ethyl]-5-fluorophenol
CID 82857306
5-fluoro-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 63064121
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol (CID 66352112) is 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol is CC(Nc1ccsc1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol?
The InChIKey is USCIHPPTVMICTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8(14-10-4-5-16-7-10)11-3-2-9(13)6-12(11)15/h2-8,14-15H,1H3.
What are the key properties of 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol?
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol is sourced from PubChem (CID 66352112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).